1-(1,3-benzodioxol-5-ylmethyl)-2-ethoxycarbonyl-6-ethoxycarbonyloxy-7-methoxy-3,4-dihydroisoquinoline-1-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-ethoxycarbonyl-6-ethoxycarbonyloxy-7-methoxy-3,4-dihydroisoquinoline-1-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-ethoxycarbonyl-6-ethoxycarbonyloxy-7-methoxy-3,4-dihydroisoquinoline-1-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-ethoxycarbonyl-6-ethoxycarbonyloxy-7-methoxy-3,4-dihydroisoquinoline-1-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-ethoxycarbonyl-6-ethoxycarbonyloxy-7-methoxy-3,4-dihydroisoquinoline-1-carboxylic acid Traditional Name: 2-carbethoxy-6-carbethoxyoxy-7-methoxy-1-piperonyl-3,4-dihydroisoquinoline-1-carboxylic acid Formula: C25H27NO10 MolecularWeight: 501.48258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1(CC3=CC4=C(C=C3)OCO4)C(=O)O)OC)OC(=O)OCC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2C1(CC3=CC4=C(C=C3)OCO4)C(=O)O)OC)OC(=O)OCC

InChI

InChI=1S/C25H27NO10/c1-4-32-23(29)26-9-8-16-11-21(36-24(30)33-5-2)19(31-3)12-17(16)25(26,22(27)28)13-15-6-7-18-20(10-15)35-14-34-18/h6-7,10-12H,4-5,8-9,13-14H2,1-3H3,(H,27,28)